4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide

C20H22ClN3O3 — CID 9494370

IUPAC4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-14-3-9-17(10-4-14)23-18(25)13-24(2)19(26)11-12-22-20(27)15-5-7-16(21)8-6-15/h3-10H,11-13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyIURDTVFEKLVCAQ-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.87
Rot. Bonds7

About 4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide

4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide (PubChem CID 9494370) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
PubChem CID9494370
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClN3O3/c1-14-3-9-17(10-4-14)23-18(25)13-24(2)19(26)11-12-22-20(27)15-5-7-16(21)8-6-15/h3-10H,11-13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyIURDTVFEKLVCAQ-UHFFFAOYSA-N
XLogP2.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9374487
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide
CID 9426396
N-[3-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9440821
2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 2454779
methyl 4-[3-[(4-chlorobenzoyl)amino]propanoylamino]benzoate
CID 7741241
4-bromo-N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-3-oxopropyl]benzamide
CID 26714808
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide
CID 123537340
N-[3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]furan-3-carboxamide
CID 38769575

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide (CID 9494370) is 4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide is Cc1ccc(NC(=O)CN(C)C(=O)CCNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is IURDTVFEKLVCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-14-3-9-17(10-4-14)23-18(25)13-24(2)19(26)11-12-22-20(27)15-5-7-16(21)8-6-15/h3-10H,11-13H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of 4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 387.87 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9494370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).